N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine

C16H25NO2 — CID 54797389

IUPACN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine
SMILESCCCCNCc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C16H25NO2/c1-2-3-10-17-12-14-6-8-15(9-7-14)19-13-16-5-4-11-18-16/h6-9,16-17H,2-5,10-13H2,1H3
InChIKeyQBPUIIYLECSXJW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds8

About N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine

N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine (PubChem CID 54797389) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine
PubChem CID54797389
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine
SMILESCCCCNCc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C16H25NO2/c1-2-3-10-17-12-14-6-8-15(9-7-14)19-13-16-5-4-11-18-16/h6-9,16-17H,2-5,10-13H2,1H3
InChIKeyQBPUIIYLECSXJW-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanesulfonamide
CID 47070193
N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 55058917
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799559
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol
CID 111469000
N-[[4-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 79165728
2,5-dichloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]aniline
CID 54798356
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158401
2,4,5-trichloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]aniline
CID 46736222

Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine?
The IUPAC name of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine (CID 54797389) is N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine.
What is the SMILES notation for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine?
The canonical SMILES for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine is CCCCNCc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine?
The InChIKey is QBPUIIYLECSXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-10-17-12-14-6-8-15(9-7-14)19-13-16-5-4-11-18-16/h6-9,16-17H,2-5,10-13H2,1H3.
What are the key properties of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine?
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 54797389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).